SCHEMBL4680696

SCHEMBL4680696

Brc1ccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.48
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LTA4H P09960 2/20 0.42
XDH P47989 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
FNTA P49354 1/20 0.38
PGGT1B P53609 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4686964 0.93 MCL1 (0.46) MCL1NPC1RAB9AKMT2ATDP1
SCHEMBL4460374 0.90 MCL1 (0.45) MCL1NPC1RAB9AKMT2ATDP1
Trifluoroacetic Acid SCHEMBL4458367 0.90 MCL1 (0.48) MCL1NPC1RAB9AKMT2ATDP1
SCHEMBL4460360 0.88 LTA4H (0.47) MCL1NPC1RAB9AKMT2ALMNA
SCHEMBL4456543 0.88 MCL1 (0.54) MCL1NPC1RAB9AKMT2ALMNA
SCHEMBL4460188 0.87 NPC1 (0.45) MCL1NPC1RAB9AKMT2AKDM4E
SCHEMBL3270671 0.87 MAOA (0.46) MCL1NPC1RAB9AKMT2ALMNA
SCHEMBL4456749 0.87 PRMT5 (0.43) MCL1NPC1RAB9ALTA4HXDH
SCHEMBL4455245 0.87 NPC1 (0.50) MCL1NPC1RAB9AKMT2ATDP1
Hydrochloric Acid SCHEMBL4461345 0.86 XDH (0.45) MCL1NPC1RAB9AKMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638943-B1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2008-08-06 EP claimed
JP-2007501267-A 2007-01-25 JP claimed
EP-1638943-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-03-29 EP claimed
WO-2004106307-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-12-09 WO claimed
EP-1638943-B1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2008-08-06 EP disclosed
EP-1638943-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-03-29 EP disclosed
WO-2004106307-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-12-09 WO disclosed